Drug Information

Drug ID:  NPD9263
Drug Name:  Potassium Salicylate
Molecular Formula:  C7H6O3.K
Canonical SMILES:  OC(=O)c1ccccc1[O-].[K+]
Standard InCHI:  InChI=1S/C7H6O3.K/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
Standard InCHIKey:  FRMWBRPWYBNAFB-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9263

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Drug Structure

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External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  137.02
ALogP  -1.0339
MLogP  1.9
XLogP  2.264
HDA  2
HBD  1
Rotatable Bonds  3
TPSA  60.36
RO5 Violation  0